CAS 938-55-6|N,N-dimethyl-7H-purin-6-amine|N<sup>6</sup> ,N<sup>6</sup>-Dimethyladenine|6-(dimethylamino)-purine|6-DIMETHYLAMINOPURINE|6-(Dimethylamino)purine|6-(二甲氨基)嘌呤|N6,N6-二甲腺嘌呤|6-DMA...

基本信息

化学结构

分子式

C₇H₉N₅

分子量

163.17986

精确质量

163.08579531

电荷

InChI

InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)

InChIKey

BVIAOQMSVZHOJM-UHFFFAOYSA-N

Canonic Smiles

CN(c1ncnc2c1[nH]cn2)C

Isomeric Smiles

CN(C)c1ncnc2c1[nH]cn2

计算属性

JChem

LogD (pH = 7.4)

0.40

LogD (pH = 5.5)

0.27

Log P

0.41

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

5.05

极化表面积

57.70

极化性

16.43

摩尔折射率

46.33

LOG S

-1.81

数据来源

名称和标识

IUPAC标准名

N,N-dimethyl-7H-purin-6-amine N,N-dimethyl-9H-purin-6-amine

别名

N⁶ ,N⁶-Dimethyladenine6-DIMETHYLAMINOPURINE6-(Dimethylamino)purine6-(二甲氨基)嘌呤N6,N6-二甲腺嘌呤6-DMAPN6,N6-DimethyladenineN,N-dimethyl-7H-purin-6-amine6-DimethyladenineN(6)-dimethyladenineN,N-Dimethyl-6-aminopurineN(6),N(6)-Dimethyladenine6-(Dimethylamino)purineN(6),N(6)-dimethyladenineN,N-dimethyl-1H-purin-6-amine6-DimethylaminopurineN,N-Dimethyladenine

IUPAC传统名

6-(dimethylamino)-purine 6-dimethylaminopurine

名称和标识

数据登录号

EC号

213-344-3

CAS号

938-55-6

PubChem CID

3134

PubChem SID

1620895952489370199364978

Beilstein号

7634611068

MDL号

MFCD00005573

BRENDA数据库

2.7.11.222.4.1.132.7.10.23.5.4.22.7.11.132.5.1.62.7.12.12.4.2.62.7.10.1

PubMed文献链接

121126041956965525730023238583323854

UniProt数据库

Q12502

CHEBI ID

CHEBI:60281

MetaboLights数据库

MTBLS2074MTBLS2406MTBLS2105MTBLS867MTBLS2145

SureChEMBL数据库

PDB数据库

BindingDB数据库

ACToR数据库

CHEMBL

CompTox数据库

数据登录号

化合物性质

安全信息

MSDS下载

下载链接

保存条件

0°C

个人保护装置

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

德国WGK号

保存温度

-20°C

理化性质

熔点

262-264°C

259-262 °C(lit.)

256 - 258°C

疏水性(logP)

0.69

化合物性质

分子相关蛋白质

分子图谱

暂无数据

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描述信息

MP Biomedicals

02101593

Crystalline
Purity: >98%
Protein kinase inhibitor.

Sigma Aldrich

D2629

Application
6-(Dimethylamino)purine (6-DMAP) is a protein kinase and cyclin-dependent kinase inhibitor used in parthenogenesis and meiosis studies.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. D2629.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

ChEBI

CHEBI:60281

A tertiary amine that is adenine substituted at N-6 by geminal methyl groups.

描述信息

参考文献

PubChem文献

数据源提供

• Szollosi, M.S., et al., Jour. of Cell Sci. , 37(23) : 3886-3888 (1993).

参考文献

生物活性

PubChem BioAssay

生物活性